UCSF

ZINC06565402

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.83 8.13 -60.56 0 6 -1 87 380.351 5
Mid Mid (pH 6-8) 3.28 2.35 -18.25 1 6 0 83 381.359 4
Mid Mid (pH 6-8) 2.25 2.42 -24.48 0 6 0 80 381.359 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )